2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine

C23H23NO3 — CID 155565981

IUPAC2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1cccc(-c2ccc(C)cc2)n1
InChIInChI=1S/C23H23NO3/c1-15-9-11-17(12-10-15)20-8-6-7-19(24-20)16(2)18-13-21(25-3)23(27-5)22(14-18)26-4/h6-14H,2H2,1,3-5H3
InChIKeyBDSYSLSRMQHPJB-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.14
Rot. Bonds6

About 2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine

2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine (PubChem CID 155565981) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
PubChem CID155565981
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1cccc(-c2ccc(C)cc2)n1
InChIInChI=1S/C23H23NO3/c1-15-9-11-17(12-10-15)20-8-6-7-19(24-20)16(2)18-13-21(25-3)23(27-5)22(14-18)26-4/h6-14H,2H2,1,3-5H3
InChIKeyBDSYSLSRMQHPJB-UHFFFAOYSA-N
XLogP5.14
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The IUPAC name of 2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine (CID 155565981) is 2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine.
What is the SMILES notation for 2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The canonical SMILES for 2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine is C=C(c1cc(OC)c(OC)c(OC)c1)c1cccc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
The InChIKey is BDSYSLSRMQHPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-15-9-11-17(12-10-15)20-8-6-7-19(24-20)16(2)18-13-21(25-3)23(27-5)22(14-18)26-4/h6-14H,2H2,1,3-5H3.
What are the key properties of 2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine?
2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine has a molecular weight of 361.44 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine is sourced from PubChem (CID 155565981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).